silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate

C28H32AgF3N8O6S — CID 139126381

IUPACsilver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate
SMILESCC(C)=O.O=S(=O)([O-])C(F)(F)F.[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/C24H26N8O2.C3H6O.CHF3O3S.Ag/c1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-3(2)4;2-1(3,4)8(5,6)7;/h1-16,23-24H,17-20H2;1-2H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyXLSRVYJIIDCUAX-UHFFFAOYSA-M
MW773.54 g/mol
LogP3.64
Rot. Bonds12

About silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate

silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate (PubChem CID 139126381) has the molecular formula C28H32AgF3N8O6S and a molecular weight of 773.54 g/mol. Its IUPAC name is silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate
PubChem CID139126381
Molecular FormulaC28H32AgF3N8O6S
Molecular Weight773.54 g/mol
Exact Mass772.12
IUPAC Namesilver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate
SMILESCC(C)=O.O=S(=O)([O-])C(F)(F)F.[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
InChIInChI=1S/C24H26N8O2.C3H6O.CHF3O3S.Ag/c1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-3(2)4;2-1(3,4)8(5,6)7;/h1-16,23-24H,17-20H2;1-2H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyXLSRVYJIIDCUAX-UHFFFAOYSA-M
XLogP3.64
TPSA164.01 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate with MolForge

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Related Compounds

Disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)
CID 139126382
Disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate
CID 139126378
Silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;tetrafluoroborate
CID 139126379
Silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate
CID 139126380
Disilver;acetonitrile;ethoxyethane;1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole;bis(trifluoromethanesulfonate)
CID 139131576
1-[2-[[4-[2,2-Di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
CID 101332985

Frequently Asked Questions

What is the IUPAC name of silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate?
The IUPAC name of silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate (CID 139126381) is silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate.
What is the SMILES notation for silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate?
The canonical SMILES for silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate is CC(C)=O.O=S(=O)([O-])C(F)(F)F.[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.
What is the InChIKey of silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate?
The InChIKey is XLSRVYJIIDCUAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26N8O2.C3H6O.CHF3O3S.Ag/c1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-3(2)4;2-1(3,4)8(5,6)7;/h1-16,23-24H,17-20H2;1-2H3;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate?
silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate has a molecular weight of 773.54 g/mol, XLogP of 3.64, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for silver;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;propan-2-one;trifluoromethanesulfonate is sourced from PubChem (CID 139126381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).